1-[(4-fluorophenyl)methyl]-5-methoxy-2-(piperidin-4-ylmethyl)benzimidazole dihydrate dihydrochloride

Systemtic Name: 1-[(4-fluorophenyl)methyl]-5-methoxy-2-(piperidin-4-ylmethyl)benzimidazole dihydrate dihydrochloride Openeye Name: 1-[(4-fluorophenyl)methyl]-5-methoxy-2-(4-piperidylmethyl)benzimidazole dihydrate dihydrochloride CAS Name: 1-[(4-fluorophenyl)methyl]-5-methoxy-2-(4-piperidinylmethyl)benzimidazole dihydrate dihydrochloride IUPAC Name: 1-[(4-fluorophenyl)methyl]-5-methoxy-2-(piperidin-4-ylmethyl)benzimidazole dihydrate dihydrochloride Traditional Name: 1-(4-fluorobenzyl)-5-methoxy-2-(4-piperidylmethyl)benzimidazole dihydrate dihydrochloride Formula: C21H30Cl2FN3O3 MolecularWeight: 462.385603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=N2)CC3CCNCC3)CC4=CC=C(C=C4)F.O.O.Cl.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=N2)CC3CCNCC3)CC4=CC=C(C=C4)F.O.O.Cl.Cl

InChI

InChI=1S/C21H24FN3O.2ClH.2H2O/c1-26-18-6-7-20-19(13-18)24-21(12-15-8-10-23-11-9-15)25(20)14-16-2-4-17(22)5-3-16;;;;/h2-7,13,15,23H,8-12,14H2,1H3;2*1H;2*1H2